5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide

C16H19N3O — CID 126767967

IUPAC5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC1CCCc2ccccc21
InChIInChI=1S/C16H19N3O/c1-11-15(10-18-19-11)16(20)17-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8,10,13H,4,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeySCBUJJMHMQRANH-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.57
Rot. Bonds3

About 5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide

5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 126767967) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID126767967
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC1CCCc2ccccc21
InChIInChI=1S/C16H19N3O/c1-11-15(10-18-19-11)16(20)17-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8,10,13H,4,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeySCBUJJMHMQRANH-UHFFFAOYSA-N
XLogP2.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 126768716
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995
3-methoxy-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 166351622
N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62400684
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 119181193
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 86841913
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429
3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 134044129
5-(diethylsulfamoyl)-2-methyl-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide
CID 51870529
5-(diethylsulfamoyl)-2-methyl-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzamide
CID 51870530
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide (CID 126767967) is 5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCC1CCCc2ccccc21.
What is the InChIKey of 5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is SCBUJJMHMQRANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-15(10-18-19-11)16(20)17-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8,10,13H,4,6-7,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide?
5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126767967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).